SCHEMBL5222292

SCHEMBL5222292

O=C(O)c1cc(C2CCCC2)cc(N2CCCCS2(=O)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
KMO O15229 1/20 0.43
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA6 P23280 1/20 0.37
OPRK1 P41145 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
BACE1 P56817 3/20 0.37
BACE2 Q9Y5Z0 3/20 0.37
TP53 P04637 5/20 0.37
PTGER1 P34995 1/20 0.36
CREBBP Q92793 2/20 0.36
CTSD P07339 2/20 0.36
AKR1C3 P42330 1/20 0.36
F10 P00742 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5224068 0.96 POLB (0.53) POLBKMOBACE1BACE2TP53
SCHEMBL5222301 0.87 POLB (0.43) POLBKMOBACE1BACE2CREBBP
SCHEMBL5223381 0.85 POLB (0.45) POLBBACE1BACE2TP53
SCHEMBL5224062 0.83 KMO (0.43) POLBKMOCREBBP
SCHEMBL5216490 0.81 TP53 (0.44) POLBTP53AKR1C3F10
SCHEMBL3886939 0.79 POLB (0.64) POLBCA1CA2CA6OPRK1
SCHEMBL13229564 0.75 POLB (0.60) POLBBACE1BACE2TP53PTGER1
SCHEMBL5900600 0.75 POLB (0.59) POLBTP53PTGER1F10
SCHEMBL5221112 0.75 POLB (0.44) POLBTP53
SCHEMBL5259083 0.74 POLB (0.41) POLBKMOBACE1BACE2TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed